(2R)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: (2R)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: (2R)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone CAS Name: (2R)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: (2R)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: (2R)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-2-phenyl-1-pyrrolidino-ethanone Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SC(C3=CC=CC=C3)C(=O)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)S[C@H](C3=CC=CC=C3)C(=O)N4CCCC4

InChI

InChI=1S/C21H22N4O2S/c1-27-17-11-9-16(10-12-17)19-22-21(24-23-19)28-18(15-7-3-2-4-8-15)20(26)25-13-5-6-14-25/h2-4,7-12,18H,5-6,13-14H2,1H3,(H,22,23,24)/t18-/m1/s1